[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol

C16H16ClFO3 — CID 3750294

IUPAC[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H16ClFO3/c1-2-20-15-8-12(9-19)7-14(17)16(15)21-10-11-3-5-13(18)6-4-11/h3-8,19H,2,9-10H2,1H3
InChIKeyPQQQNHZTIVYZSV-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.95
Rot. Bonds6

About [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol

[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol (PubChem CID 3750294) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol
PubChem CID3750294
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H16ClFO3/c1-2-20-15-8-12(9-19)7-14(17)16(15)21-10-11-3-5-13(18)6-4-11/h3-8,19H,2,9-10H2,1H3
InChIKeyPQQQNHZTIVYZSV-UHFFFAOYSA-N
XLogP3.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol (CID 3750294) is [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol is CCOc1cc(CO)cc(Cl)c1OCc1ccc(F)cc1.
What is the InChIKey of [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The InChIKey is PQQQNHZTIVYZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-2-20-15-8-12(9-19)7-14(17)16(15)21-10-11-3-5-13(18)6-4-11/h3-8,19H,2,9-10H2,1H3.
What are the key properties of [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol has a molecular weight of 310.75 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 3750294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).